(E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
TL;DR: (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile (CAS 714206-87-8) is a chemical compound with molecular formula C22H16FNO and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
Also Known As: (2E)-3-[2-(benzyloxy)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile, (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
| Molecular Formula | C22H16FNO |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 5.46888 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.12158 |
| Heavy Atoms | 25 |
| Complexity | 908.7622 |
Chemical Identifiers
| CAS Number | 714206-87-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(/C#N)\C3=CC=C(C=C3)F |
Product Overview
(E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile (CAS 714206-87-8), with molecular formula C22H16FNO and molecular weight 329.12 g/mol. IUPAC: (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
Property Insights of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
The XLogP value of 5.46888 indicates that (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
The CAS number of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile is 714206-87-8.
What is the molecular formula of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
The molecular formula of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile is C22H16FNO.
What is the molecular weight of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
The molecular weight of (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile is 329.12 g/mol.
Where can I buy (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
You can request a quote for (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-fluorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.